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Results for "

Allosteric site

" in MedChemExpress (MCE) Product Catalog:

By Targets:	5-HT Receptor (2) Amyloid-β (1) Antibiotic (1) Apolipoprotein (1) Apoptosis (3) Aurora Kinase (1) Autophagy (1) Bacterial (3) Bcr-Abl (1) Caspase (1) ERK (1) FBPase (1) GABA Receptor (1) GCGR (3) HCV (3) HIV (2) HIV Integrase (2) HSP (1) iGluR (2) IKK (2) Isotope-Labeled Compounds (1) JAK (1) mAChR (2) MEK (2) mGluR (7) nAChR (3) Nucleoside Antimetabolite/Analog (1) p38 MAPK (1) p97 (1) Parasite (5) PARP (1) PERK (1) Phosphatase (2) PKC (1) PPAR (1) Ras (1) RGS Protein (1) SARS-CoV (1) Serotonin Transporter (2) SHP2 (1) Sodium Channel (1) Wnt (2) β-catenin (2)
By Research Areas:	Cancer (18) Infection (12) Inflammation/Immunology (2) Metabolic Disease (6) Neurological Disease (23)

By Targets:

5-HT Receptor (2)

Amyloid-β (1)

Antibiotic (1)

Apolipoprotein (1)

Apoptosis (3)

Aurora Kinase (1)

Autophagy (1)

Bacterial (3)

Bcr-Abl (1)

Caspase (1)

ERK (1)

FBPase (1)

GABA Receptor (1)

GCGR (3)

HCV (3)

HIV (2)

HIV Integrase (2)

HSP (1)

iGluR (2)

IKK (2)

Isotope-Labeled Compounds (1)

JAK (1)

mAChR (2)

MEK (2)

mGluR (7)

nAChR (3)

Nucleoside Antimetabolite/Analog (1)

p38 MAPK (1)

p97 (1)

Parasite (5)

PARP (1)

PERK (1)

Phosphatase (2)

PKC (1)

PPAR (1)

Ras (1)

RGS Protein (1)

SARS-CoV (1)

Serotonin Transporter (2)

SHP2 (1)

Sodium Channel (1)

Wnt (2)

β-catenin (2)

By Research Areas:

Cancer (18)

Infection (12)

Inflammation/Immunology (2)

Metabolic Disease (6)

Neurological Disease (23)

Inhibitors & Agonists

Screening Libraries

Natural
Products

Isotope-Labeled Compounds

Targets Recommended: BMI1

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-110087

4BP-TQS	nAChR	Neurological Disease
4BP-TQS is a potent allosteric agonist of α7 nAChR. 4BP-TQS activates nAChRs via an allosteric transmembrane site .

HY-157508

VCP Activator 1	p97	Others
VCP Activator 1 is a VCP activator that dose-dependently stimulates VCP ATPase activity. VCP Activator 1 binds an allosteric pocket near the C-terminus. In addition, VCP Activator 1 binding site can also be occupied by a phenylalanine residue in the VCP C-terminal tail .

HY-112247

SR 16832	PPAR	Metabolic Disease
SR 16832 is a dual site covalent PPARγ inhibitor that acts at orthosteric and allosteric sites .

HY-101796

NSC-70220	Others	Cancer
NSC-70220 is a selective and allosteric SOS1 inhibitor. NSC-70220 inhibits allosteric site activation, and partially inhibited catalytic site activation. NSC-70220 has an anticancer effect .

HY-13449

TAK-733 5 Publications Verification	MEK	Cancer
TAK-733 is a potent and selective MEK allosteric site inhibitor with an IC₅₀ of 3.2 nM.

HY-18601

(±)-BI-D 5 Publications Verification	HIV HIV Integrase	Infection
(±)-BI-D is a potent ALLINI(An allosteric IN inhibitor) that binds integrase at the LEDGF/p75 binding site.

HY-163097

ZCAN262	iGluR	Neurological Disease
ZCAN262 (compound 6 ) is an AMPA modulator. ZCAN262 prevents AMPA-mediated excitotoxicity by targeting an allosteric binding site .

HY-A0005

Clofarabine 4 Publications Verification	Nucleoside Antimetabolite/Analog Autophagy Apoptosis	Metabolic Disease Cancer
Clofarabine, a nucleoside analogue for research of cancer, is a potent inhibitor of ribonucleotide reductase (IC₅₀=65 nM) by binding to the allosteric site on the regulatory subunit .

HY-161462

ERK2/p38α MAPK-IN-1	ERK p38 MAPK	Cancer
ERK2/p38α MAPK-IN-1 (Compound 1, In silico Hit-2) is a potent and selective ERK2 and p38α MAPK inhibitor, with an IC₅₀ of 82 μM for ERK2. ERK2/p38α MAPK-IN-1 binds to the allosteric site of ERK2 and p38α MAPK in distinct manners. ERK2/p38α MAPK-IN-1 can be used for the research of type 2 diabetes .

HY-128783

VU0090157	mAChR	Neurological Disease
VU0090157 is a positive allosteric modulator (PAM) of the M1 muscarinic acetylcholine receptor (mAChR). VU0090157 increases the affinity of ACh by binding to the allosteric site. VU0090157 can be used in the study of schizophrenia and Alzheimer's disease .

HY-139641

PTP1B-IN-14	Phosphatase	Others
PTP1B-IN-14 is a selective PTP1B inhibitor (IC₅₀ = 0.72 μM) targeting the allosteric site.

HY-19623

VU0092273	mGluR	Neurological Disease
VU0092273 is a potent mGlu5 positive allosteric modulator (PAM) that also binds to the MPEP site, with an EC₅₀ of 0.27 μM .

HY-139640

PTP1B-IN-13	Phosphatase	Others
PTP1B-IN-13 is a selective PTP1B inhibitor targeting the allosteric site with an IC₅₀ value of 1.59 μM.

HY-123661

MIPS1455	Others	Neurological Disease
MIPS1455 is a light-activated M1 muscarinic acetylcholine receptor ligand with irreversible binding activity to the allosteric site of the receptor. MIPS1455 is a drug target under investigation for the suppression of cognitive deficits and may become a valuable molecular tool for further investigation of allosteric interactions of the receptor .

HY-17592

Bithionol 2 Publications Verification	Parasite Bacterial	Infection Cancer
Bithionol is an antibacterial, anthelmintic, and algaecide agent. Bithionol is also a potent inhibitor of soluble adenylyl cyclase through binding to the allosteric activator site (IC₅₀: 4 μM) .

HY-125956

Aurkin A	Aurora Kinase	Cancer
Aurkin A is an allosteric inhibitor for the interaction between Aurora A Kinase (also known also Aurka) and TPX2, through targeting the TPX2 binding sites with K_d of 3.77 μM .

HY-14563

VU10010	mAChR	Neurological Disease
VU10010 is a potent, highly selective and allosteric M₄ mAChR potentiator with an EC₅₀ of 400 nM. VU10010 binds to an allosteric site on M₄ mAChR and increases affinity for acetylcholine and coupling to G proteins. VU10010 increases carbachol-induced depression of transmission at excitatory but not inhibitory synapses in the hippocampus .

HY-114978

VU0424465	mGluR PERK	Neurological Disease
VU0424465 is a potent and partial PAM (positive allosteric modulator)-agonist for mGlu₅ mediated iCa ²⁺ mobilization. VU0424465 exhibits high affinity at MPEP allosteric binding site, with a K_i value of 11.8 nM. VU0424465 is also a agonist for pERK1/2 in cortical neurons .

HY-12062

PD318088 1 Publications Verification	MEK	Cancer
PD318088 is a potent, allosteric and non-ATP competitive MEK1/2 inhibitor, an analog of PD184352 (HY-50295). PD318088 binds simultaneously with ATP in a region of the MEK1 active site that is adjacent to the ATP-binding site. PD318088 can be used for cancer research .

HY-131941

SJM-3	GABA Receptor	Neurological Disease
SJM-3 is a positive allosteric modulator of different isoforms of the GABAA receptor. SJM-3 binds at the high-affinity benzodiazepine binding site at the α+/γ- subunit interface .

HY-160519

Targocil-II	Bacterial Antibiotic	Infection
Targocil-II (Compound 2) is an ABC transporter inhibitor with a IC₅₀ value of 137 nM. Targocil-II prevents ATP hydrolysis by binding to allosteric sites of the TM domain. Targocil-II has (antibacterial) activity .

HY-120634

BMS-929075	HCV	Infection
BMS-929075 is a potent and orally active HCV NS5B replicase palm site allosteric inhibitor. BMS-929075 shows high oral bioavailability. BMS-929075 shows cytotoxicity .

HY-141839

GLP-1R modulator C16	GCGR	Metabolic Disease
GLP-1R modulator C16 is an allosteric modulator enhancing GLP-1 binding to GLP-1R via a transmembrane site (EC₅₀ 8.43 ± 3.82 μM).

HY-141840

GLP-1R modulator C5	GCGR	Metabolic Disease
GLP-1R modulator C5 is an allosteric modulator enhancing GLP-1 binding to GLP-1R via a transmembrane site (EC₅₀ 1.59 ± 0.53 μM).

HY-141842

GLP-1R modulator L7-028	GCGR	Metabolic Disease
GLP-1R modulator L7-028 is an allosteric modulator enhancing GLP-1 binding to GLP-1R via a transmembrane site (EC₅₀ 11.01 ± 2.73 μM).

HY-17592R

Bithionol (Standard)	Parasite Bacterial	Infection Cancer
Bithionol (Standard) is the analytical standard of Bithionol. This product is intended for research and analytical applications. Bithionol is an antibacterial, anthelmintic, and algaecide agent. Bithionol is also a potent inhibitor of soluble adenylyl cyclase through binding to the allosteric activator site (IC₅₀: 4 μM) .

HY-10518

BMS-345541 hydrochloride Maximum Cited Publications 22 Publications Verification	IKK	Cancer
BMS-345541 hydrochloride is a selective inhibitor of the catalytic subunits of IKK (IKK-2 IC₅₀=0.3 μM, IKK-1 IC₅₀=4 μM). BMS-345541 binds at an allosteric site of IKK.

HY-10519

BMS-345541 Maximum Cited Publications 22 Publications Verification	IKK	Cancer
BMS-345541 is a selective inhibitor of the catalytic subunits of IKK (IKK-2 IC₅₀=0.3 μM, IKK-1 IC₅₀=4 μM). BMS-345541 binds at an allosteric site of IKK.

HY-129517

UBP714	iGluR	Neurological Disease
UBP714 exhibts agonistic activity for recombinant GluN1/GluN2 receptor by binding to the positive allosteric site (PAM) of NMDARs. UBP714 enhances NMDAR-mediated field excitatory postsynaptic potentials (f-EPSPs) in Xenopus oocytes .

HY-162604

SARS-CoV-2-IN-90	SARS-CoV	Infection
SARS-CoV-2-IN-90 (compound 3i) is a SARS-CoV-2 inhibitor. SARS-CoV-2-IN-90 can be used in coronavirus infection related research .

HY-12429

Beclabuvir 3 Publications Verification BMS-791325	HCV	Infection
Beclabuvir is an allosteric inhibitor that binds to thumb site 1 of the hepatitis C virus (HCV) NS5B RNA-dependent RNA polymerase, and inhibits recombinant NS5B proteins from HCV genotypes 1, 3, 4, and 5 with IC₅₀ of < 28 nM .

HY-116553

FzM1	Wnt β-catenin	Cancer
FzM1 is a negative allosteric modulator (NAM) of Frizzled receptor FZD4. FzM1 reduces WNT5A-dependent WNT responsive element (WRE) activity (log EC_50inh=−6.2). FzM1 binds to an allosteric binding site located in intracellular loop 3 (ICL3) of FZD4 and alters the conformation of the receptor, ultimately inhibiting the WNT/β-catenin cascade .

HY-130000

Pirmitegravir STP0404	HIV Integrase HIV	Infection
Pirmitegravir is a potent and first-in-class inhibitor of allosteric integrase (ALLINI) that targets LEDGF/p75 binding site. Pirmitegravir displays picomolar IC₅₀ in human PBMCs with a >24,000 therapeutic index against HIV-1. Pirmitegravir harbors outstanding anti-virus and safety properties .

HY-149241

SHP2-IN-13	SHP2	Cancer
SHP2-IN-13 is a highly selective and orally active SHP2 “tunnel site” allosteric inhibitor with an IC50 of 83.0 nM. SHP2-IN-13 has the potential for cancers bearing RTK oncogenic drivers and SHP2-related diseases research.

HY-12429A

Beclabuvir hydrochloride BMS-791325 hydrochloride	HCV	Infection
Beclabuvir (BMS-791325) hydrochloride is an allosteric inhibitor that binds to thumb site 1 of the hepatitis C virus (HCV) NS5B RNA-dependent RNA polymerase, and inhibits recombinant NS5B proteins from HCV genotypes 1, 3, 4, and 5 with IC₅₀ of < 28 nM .

HY-113050A

2,3-Diphosphoglyceric acid pentasodium 2,3-DPG pentasodium	Others	Others
2,3-Diphosphoglyceric acid (2,3-DPG) pentasodium is an intermediate of the glycolytic pathway. 2,3-Diphosphoglyceric acid pentasodium stabilizes the deoxygenated form of hemoglobin by allosteric binding and facilitates oxygen release at tissue sites. 2,3-Diphosphoglyceric acid pentasodium binds to hemoglobin and decrease its affinity for oxygen .

HY-103076

EZ-482 1 Publications Verification	Apolipoprotein	Neurological Disease
EZ-482, a novel ligand of apolipoprotein (apoE), binds to sites on apoE in the C-terminal domain with K_ds of 5-10 μM for apoE3 and apoE4. EZ-482 binds to apoE4 by a unique N-terminal allosteric effect. EZ482 has the potential for Alzheimer’s diseas .

HY-120727

VU0364289	mGluR	Neurological Disease
VU0364289 is a highly selective mGlu5 positive allosteric modulator (PAM) (binds to the MPEP (HY-14609A) site), with an EC₅₀ of 1.6 µM. VU0364289 can reverse amphetamine-induced hyperlocomotion in a dose-dependent manner, which can be used for schizophrenia and other psychiatric research .

HY-124984

ML353	mGluR	Neurological Disease
ML353 is a selective ligand of mGlu5 silent allosteric modulator (SAM) with an K_i value of 18.2 nM. ML353 improves the affinity of common allosteric sites, 20-fold higher than the previous mGlu5 SAM tool compound 5mpep. ML353 has potential applications in solving the intrinsic activity of SAM in vivo or as a agent blocker . ML353 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

HY-12150

CCMI 1 Publications Verification AVL-3288; UCI-4083	nAChR	Neurological Disease
CCMI (AVL-3288) is a potent and selective α7 nAChR-positive allosteric modulator, does not bind to or activate α7 nAChRs via the orthosteric site, and causes significant positive modulation of agonist-induced currents at α7 nAChRs. CCMI has potential in CNS diseases with cognitive dysfunction .

HY-117282

JG-98 5+ Cited Publications	HSP Apoptosis	Cancer
JG-98, an allosteric heat shock protein 70 (Hsp70) inhibitor, which binds tightly to a conserved site on Hsp70 and disrupts the Hsp70-Bag3 interaction. JG-98 shows anti-cancer activities affecting both cancer cells and tumor-associated macrophages .

HY-108708

GeA-69	PARP	Cancer
GeA-69 is a selective, allosteric inhibitor of poly-adenosine-diphosphate-ribose polymerase 14 (PARP14) targeting macrodomain 2 (MD2), with a K_d value of 2.1 μM. GeA-69 involves in DNA damage repair mechanisms and prevents recruitment of PARP14 MD2 to sites of laser-induced DNA damage .

HY-147007

β-catenin-IN-3	β-catenin Wnt	Cancer
β-catenin-IN-3 (compound C2) is a potent and selective β-catenin inhibitor with a K_D value of 54.96 nM. β-catenin-IN-3 acts by targeting a cryptic allosteric modulation site of β-catenin. β-catenin-IN-3 can significantly reduce viability of β-catenin-driven cancer cells .

HY-113050

2,3-Diphosphoglyceric acid 2,3-DPG	Parasite	Infection Neurological Disease
2,3-Diphosphoglyceric acid (2,3-DPG) is an intermediate of the glycolytic pathway. 2,3-Diphosphoglyceric acid stabilizes the deoxygenated form of hemoglobin by allosteric binding and facilitates oxygen release at tissue sites. 2, 3-diphosphoglyceric acid has antiparasitic activity. 2,3-Diphosphoglyceric acid can be used in the study of Alzheimer's disease (AD) .

HY-129274

RO4988546	mGluR	Neurological Disease
RO4988546 is a negative allosteric modulator (NAM) that targets metabotropic glutamate receptors 2 and 3 (mGlu2, mGlu3). RO4988546 can reduce the binding of [ ³h]-LY354740 at the positive binding site, while affecting the receptor's G protein coupling and intracellular signaling. RO4988546 can be used in the development of antidepressants and cognitive enhancers .

HY-124308

PS315	PKC	Cancer
PS315, a derivative of PS48 (HY-15967), is an allosteric PKC inhibitor by binding to the PIF-pocket of aPKC and inducing a displacement of the active site residue Lys111. PS315 inhibits the full-length and catalytic domain constructs of PKC_ζ (IC₅₀=10 μM) and PKC_η (IC₅₀=30 μM). PS315 has anti-cancer activity .

HY-124832

δ-Secretase inhibitor 11 1 Publications Verification	Caspase Amyloid-β	Neurological Disease
δ-Secretase inhibitor 11 (compound 11) is an orally active, potent, BBB-penetrated, non-toxic, selective and specific δ-secretase inhibitor, with an IC₅₀ of 0.7 μM. δ-Secretase inhibitor 11 interacts with both the active site and allosteric site of δ-secretase. δ-Secretase inhibitor 11 attenuates tau and APP (amyloid precursor protein) cleavage. δ-Secretase inhibitor 11 ameliorates synaptic dysfunction and cognitive impairments in tau P301S and 5XFAD transgenic mouse models. δ-Secretase inhibitor 11 can be used for Alzheimer's disease research .

HY-103565

AMN082	mGluR	Neurological Disease
AMN082, a selective, orally active, and brain penetrant mGluR7 agonist, directly activates receptor signaling via an allosteric site in the transmembrane domain. AMN082 potently inhibits cAMP accumulation and stimulates GTPγS binding (EC₅₀ values, 64-290 nM) at transfected mammalian cells expressing mGluR7. AMN082 shows selectivity over other mGluR subtypes and selected ionotropic glutamate receptors. Antidepressant effects .

HY-13509

CCG-50014 2 Publications Verification	RGS Protein	Inflammation/Immunology
CCG-50014 is the most potent against the regulator of G-protein signaling protein type 4 (RGS4) (IC₅₀ =30 nM) and is >20-fold selective for RGS4 over other RGS proteins. CCG-50014 binds covalently to the RGS, forming an adduct on two cysteine residues located in an allosteric regulatory site . CCG50014, reduces nociceptive responses and enhances opioid-mediated analgesic effects in the mouse formalin test .

HY-110289

(R)-Citalopram oxalate	Serotonin Transporter 5-HT Receptor	Neurological Disease
(R)-Citalopram oxalate is an anticonvulsant, antidepressant and muscle relaxant. (R)-Citalopram oxalate is at least 20-fold weaker than S-citalopram (Escitalopram; HY-14258) as inhibitor of the 5-HT transporter (SERT). (R)-Citalopram oxalate functionally antagonises S-citalopram in vivo and in vitro. (R)-Citalopram oxalate has an effect on the association of Escitalopram with the high affinity primary site, and on its dissociation from the 5-HT transporter, via an allosteric mechanism .

Cat. No.	Product Name

HY-L170

Allosteric Modulators (AMs) Compound Library

190 compounds

An emerging drug design method is based on the secondary binding site effect, where small molecule drugs are designed to bind to secondary binding sites on target biomolecules rather than primary orthomorphic sites. Successful potential drugs (known as allosteric modulators) will be able to bind to allosteric sites and remotely alter (or modify) the conformation of the main orthosteric binding sites of biological targets. Allosteric modulators (AMs) are ligands of proteins that act through binding sites different from natural (orthosteric) ligand sites. AMs are relatively small, more lipophilic, and more rigid compounds. The binding efficacy of AMs with their targets is often slightly lower. AMs are divided into positive AMs (PAMs) and negative AMs (NAMs). AMs are ideal drug targets because they can fine-tune receptor activity while preserving the spatial and temporal signal transduction characteristics of endogenous ligands, resulting in fewer targeted side effects, improved subtype selectivity, and better promotion of biased signal transduction than normal ligands.

MCE designs a unique collection of 190 small allosteric modulators. It is a good tool to be used for research on metabolize, cancer and other diseases.

Cat. No.	Product Name	Category	Target	Chemical Structure

HY-12545

Brevetoxin-3 PbTx-3	Structural Classification Natural Products other families Classification of Application Fields Source classification Plants Inflammation/Immunology Disease Research Fields	Sodium Channel
Brevetoxin-3 (PbTx-3) is a potent allosteric voltage-gated Na ⁺?channel activator and has multiple active centers (A-ring lactone, C-42 of R side chain) . Brevetoxin-3 (PbTx-3) has a high affinity to site 5 of the voltage-sensitive Na ⁺?channels, inhibits the inactivation of Na ⁺ channels and prolongs the mean open time of these channels. Brevetoxin-3 (PbTx-3) repeated exposures can lead to prolonged airway hyperresponsiveness (AHR) and lung inflammation .

Cat. No.	Product Name	Chemical Structure

HY-113050SA

2,3-Diphosphoglyceric acid-d3 ammonium

2,3-Diphosphoglyceric acid-d3 ammonium (2,3-DPG-d3 ammonium) is the deuterium labeled 2,3-Diphosphoglyceric acid (HY-113050). 2,3-Diphosphoglyceric acid (2,3-DPG) is an intermediate of the glycolytic pathway. 2,3-Diphosphoglyceric acid stabilizes the deoxygenated form of hemoglobin by allosteric binding and facilitates oxygen release at tissue sites. 2, 3-diphosphoglyceric acid has antiparasitic activity. 2,3-Diphosphoglyceric acid can be used in the study of Alzheimer's disease (AD) .

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